| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:55:59 UTC |
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| Update Date | 2025-03-24 21:50:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01909919 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H12O |
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| Molecular Mass | 112.0888 |
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| SMILES | CCC#CC(C)(C)O |
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| InChI Key | SPLYFWRRAFIWQH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | ynones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundtertiary alcoholhydrocarbon derivativeynone |
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